Chemical ID: 4727011

c1cc(c2c(c1)OCCCO2)C=O
Chemical ID:
4727011
Name [?]:
2,6-dioxabicyclo[5.4.0]undeca-8,10,12-triene-11-carbaldehyde
SMILES [?]:
c1cc(c2c(c1)OCCCO2)C=O
InChi [?]:
InChI=1/C10H10O3/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9/h1,3-4,7H,2,5-6H2
InChi Info:
AuxInfo=1/0/N:1,9,2,6,8,10,12,3,5,4,13,7,11/rA:13nCCCCCCOCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s4s10;s3;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.29255
Area:325.844
Solvation:-3.85355
Coulombic:-22.7648
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.185
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.7
LogP (Chemaxon):1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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